N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

C24H23FN4O3 — CID 53062203

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C24H23FN4O3/c25-18-3-1-2-17(12-18)20-14-23(27-15-26-20)29-8-6-16(7-9-29)24(30)28-19-4-5-21-22(13-19)32-11-10-31-21/h1-5,12-16H,6-11H2,(H,28,30)
InChIKeyRLZUXZKWVLWKIF-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.91
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 53062203) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID53062203
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1
InChIInChI=1S/C24H23FN4O3/c25-18-3-1-2-17(12-18)20-14-23(27-15-26-20)29-8-6-16(7-9-29)24(30)28-19-4-5-21-22(13-19)32-11-10-31-21/h1-5,12-16H,6-11H2,(H,28,30)
InChIKeyRLZUXZKWVLWKIF-UHFFFAOYSA-N
XLogP3.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
N-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 46331071
N-(2,4-dimethylphenyl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062234
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069932
N-[3-(diethylamino)propyl]-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062200
N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90520304
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 53061970
1-(6-cyclopropylpyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide
CID 126853993
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 53062203) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cc(-c3cccc(F)c3)ncn2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is RLZUXZKWVLWKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-18-3-1-2-17(12-18)20-14-23(27-15-26-20)29-8-6-16(7-9-29)24(30)28-19-4-5-21-22(13-19)32-11-10-31-21/h1-5,12-16H,6-11H2,(H,28,30).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53062203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).